C97H83F4N19O5 — CID 160843286
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 160843286) has the molecular formula C97H83F4N19O5 and a molecular weight of 1670.85 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160843286 |
| Molecular Formula | C97H83F4N19O5 |
| Molecular Weight | 1670.85 g/mol |
| Exact Mass | 1669.68 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C25H24FN5O.C25H17FN4O2.C24H22FN5O.C23H20FN5O/c26-21-6-2-3-7-23(21)28-25(32)24-20-13-18(8-9-22(20)29-30-24)19-12-17(14-27-15-19)16-31-10-4-1-5-11-31;26-21-8-4-5-9-23(21)28-25(31)24-20-13-16(10-11-22(20)29-30-24)17-12-19(15-27-14-17)32-18-6-2-1-3-7-18;25-20-5-1-2-6-22(20)27-24(31)23-19-12-17(7-8-21(19)28-29-23)18-11-16(13-26-14-18)15-30-9-3-4-10-30;24-19-4-1-2-5-21(19)26-23(30)22-18-11-16(6-7-20(18)27-28-22)17-10-15(12-25-13-17)14-29-8-3-9-29/h2-3,6-9,12-15H,1,4-5,10-11,16H2,(H,28,32)(H,29,30);1-15H,(H,28,31)(H,29,30);1-2,5-8,11-14H,3-4,9-10,15H2,(H,27,31)(H,28,29);1-2,4-7,10-13H,3,8-9,14H2,(H,26,30)(H,27,28) |
| InChIKey | SIHTWKBVNJJPHZ-UHFFFAOYSA-N |
| XLogP | 19.64 |
| TPSA | 301.63 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 125 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1670.85 |
| LogP ≤ 5 | 19.64 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 16 |